2-(2-methyloxolan-3-yl)sulfanylbutanamide

C9H17NO2S — CID 103847327

IUPAC2-(2-methyloxolan-3-yl)sulfanylbutanamide
SMILESCCC(SC1CCOC1C)C(N)=O
InChIInChI=1S/C9H17NO2S/c1-3-7(9(10)11)13-8-4-5-12-6(8)2/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyLHUGICJUPGUVFI-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfanylbutanamide

2-(2-methyloxolan-3-yl)sulfanylbutanamide (PubChem CID 103847327) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanylbutanamide
PubChem CID103847327
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-(2-methyloxolan-3-yl)sulfanylbutanamide
SMILESCCC(SC1CCOC1C)C(N)=O
InChIInChI=1S/C9H17NO2S/c1-3-7(9(10)11)13-8-4-5-12-6(8)2/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyLHUGICJUPGUVFI-UHFFFAOYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyloxolan-3-yl)sulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylbutanamide?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylbutanamide (CID 103847327) is 2-(2-methyloxolan-3-yl)sulfanylbutanamide.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanylbutanamide?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanylbutanamide is CCC(SC1CCOC1C)C(N)=O.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanylbutanamide?
The InChIKey is LHUGICJUPGUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-7(9(10)11)13-8-4-5-12-6(8)2/h6-8H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanylbutanamide?
2-(2-methyloxolan-3-yl)sulfanylbutanamide has a molecular weight of 203.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanylbutanamide is sourced from PubChem (CID 103847327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).